ethyl 5-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[methyl(tosyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O5S2/c1-4-28-21(25)19-12-15-11-16(7-10-18(15)29-19)22-20(24)13-23(3)30(26,27)17-8-5-14(2)6-9-17/h5-12H,4,13H2,1-3H3,(H,22,24)